N-[2-(2,6-dimethylanilino)-2-oxo-1-phenylethyl]-N-(4-methylphenyl)-5-oxopyrrolidine-2-carboxamide

C28H29N3O3 — CID 56689515

IUPACN-[2-(2,6-dimethylanilino)-2-oxo-1-phenylethyl]-N-(4-methylphenyl)-5-oxopyrrolidine-2-carboxamide
SMILESCc1ccc(N(C(=O)C2CCC(=O)N2)C(C(=O)Nc2c(C)cccc2C)c2ccccc2)cc1
InChIInChI=1S/C28H29N3O3/c1-18-12-14-22(15-13-18)31(28(34)23-16-17-24(32)29-23)26(21-10-5-4-6-11-21)27(33)30-25-19(2)8-7-9-20(25)3/h4-15,23,26H,16-17H2,1-3H3,(H,29,32)(H,30,33)
InChIKeySROTUOGIQGVWBH-UHFFFAOYSA-N
MW455.56 g/mol
LogP4.60
Rot. Bonds6

About N-[2-(2,6-dimethylanilino)-2-oxo-1-phenylethyl]-N-(4-methylphenyl)-5-oxopyrrolidine-2-carboxamide

N-[2-(2,6-dimethylanilino)-2-oxo-1-phenylethyl]-N-(4-methylphenyl)-5-oxopyrrolidine-2-carboxamide (PubChem CID 56689515) has the molecular formula C28H29N3O3 and a molecular weight of 455.56 g/mol. Its IUPAC name is N-[2-(2,6-dimethylanilino)-2-oxo-1-phenylethyl]-N-(4-methylphenyl)-5-oxopyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[2-(2,6-dimethylanilino)-2-oxo-1-phenylethyl]-N-(4-methylphenyl)-5-oxopyrrolidine-2-carboxamide
PubChem CID56689515
Molecular FormulaC28H29N3O3
Molecular Weight455.56 g/mol
Exact Mass455.22
IUPAC NameN-[2-(2,6-dimethylanilino)-2-oxo-1-phenylethyl]-N-(4-methylphenyl)-5-oxopyrrolidine-2-carboxamide
SMILESCc1ccc(N(C(=O)C2CCC(=O)N2)C(C(=O)Nc2c(C)cccc2C)c2ccccc2)cc1
InChIInChI=1S/C28H29N3O3/c1-18-12-14-22(15-13-18)31(28(34)23-16-17-24(32)29-23)26(21-10-5-4-6-11-21)27(33)30-25-19(2)8-7-9-20(25)3/h4-15,23,26H,16-17H2,1-3H3,(H,29,32)(H,30,33)
InChIKeySROTUOGIQGVWBH-UHFFFAOYSA-N
XLogP4.60
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.56
LogP ≤ 54.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-[(2,6-dimethylphenyl)carbamoyl]cyclohexyl]-N-(4-methylphenyl)-5-oxopyrrolidine-2-carboxamide
CID 5142197
(2S)-N-[1-[(2,6-dimethylphenyl)carbamoyl]cyclohexyl]-N-(4-methylphenyl)-5-oxopyrrolidine-2-carboxamide
CID 92962240
2-(N-[2-(benzotriazol-1-yl)acetyl]anilino)-N-(2,6-dimethylphenyl)-2-phenylacetamide
CID 3201968
tert-butyl N-[1-[cyclopropyl-[2-(2,6-dimethylanilino)-2-oxo-1-phenylethyl]amino]-1-oxopropan-2-yl]carbamate
CID 18010818
N-[2-(2,6-dimethylanilino)-2-oxo-1-phenylethyl]-2-fluoro-N-methylbenzamide
CID 3415360
N-[2-(N-[2-(cyclopentylamino)-2-oxo-1-phenylethyl]-4-methylanilino)-2-oxoethyl]thiophene-2-carboxamide
CID 3211053
tert-butyl N-[1-[[2-(2,6-dimethylanilino)-2-oxo-1-phenylethyl]-(2-methylcyclopropyl)amino]-1-oxopropan-2-yl]carbamate
CID 18012243
[(2R)-1-(2,6-dimethylanilino)-1-oxopropan-2-yl]-[(1R)-1-phenylethyl]azanium
CID 9248772
tert-butyl N-[1-[cyclopropyl-[2-(2,6-dimethylanilino)-2-oxo-1-phenylethyl]amino]-3-hydroxy-1-oxopropan-2-yl]carbamate
CID 18033618
5-(4-methylbenzoyl)pyrrolidin-2-one
CID 86062507
N-[(1R)-2-(2,6-dimethylanilino)-2-oxo-1-phenylethyl]-N-methylpyridine-2-carboxamide
CID 1078828
(2R)-N-[2-(4-methylanilino)phenyl]-5-oxopyrrolidine-2-carboxamide
CID 166390943

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,6-dimethylanilino)-2-oxo-1-phenylethyl]-N-(4-methylphenyl)-5-oxopyrrolidine-2-carboxamide?
The IUPAC name of N-[2-(2,6-dimethylanilino)-2-oxo-1-phenylethyl]-N-(4-methylphenyl)-5-oxopyrrolidine-2-carboxamide (CID 56689515) is N-[2-(2,6-dimethylanilino)-2-oxo-1-phenylethyl]-N-(4-methylphenyl)-5-oxopyrrolidine-2-carboxamide.
What is the SMILES notation for N-[2-(2,6-dimethylanilino)-2-oxo-1-phenylethyl]-N-(4-methylphenyl)-5-oxopyrrolidine-2-carboxamide?
The canonical SMILES for N-[2-(2,6-dimethylanilino)-2-oxo-1-phenylethyl]-N-(4-methylphenyl)-5-oxopyrrolidine-2-carboxamide is Cc1ccc(N(C(=O)C2CCC(=O)N2)C(C(=O)Nc2c(C)cccc2C)c2ccccc2)cc1.
What is the InChIKey of N-[2-(2,6-dimethylanilino)-2-oxo-1-phenylethyl]-N-(4-methylphenyl)-5-oxopyrrolidine-2-carboxamide?
The InChIKey is SROTUOGIQGVWBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29N3O3/c1-18-12-14-22(15-13-18)31(28(34)23-16-17-24(32)29-23)26(21-10-5-4-6-11-21)27(33)30-25-19(2)8-7-9-20(25)3/h4-15,23,26H,16-17H2,1-3H3,(H,29,32)(H,30,33).
What are the key properties of N-[2-(2,6-dimethylanilino)-2-oxo-1-phenylethyl]-N-(4-methylphenyl)-5-oxopyrrolidine-2-carboxamide?
N-[2-(2,6-dimethylanilino)-2-oxo-1-phenylethyl]-N-(4-methylphenyl)-5-oxopyrrolidine-2-carboxamide has a molecular weight of 455.56 g/mol, XLogP of 4.60, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,6-dimethylanilino)-2-oxo-1-phenylethyl]-N-(4-methylphenyl)-5-oxopyrrolidine-2-carboxamide is sourced from PubChem (CID 56689515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).